SCHEMBL29465618

SCHEMBL29465618

O=S1(=O)N=COc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KEAP1 Q14145 1/20 0.34
GPR3 P46089 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAOA P21397 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19406510 1.00 CA12 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL29412538 0.71 KDM4E (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL8011773 0.69 KEAP1 (0.42) KEAP1GPR3MAOA
SCHEMBL19695681 0.65 KEAP1 (0.36) KEAP1GPR3MAOA
SCHEMBL14907206 0.64 CA12 (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL8517114 0.62 CA12 (0.41) CA12CA1CA2CA9LMNA
SCHEMBL4423134 0.62 KEAP1 (0.38) KEAP1GPR3MAOA
SCHEMBL88858 0.62 CA12 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL29398807 0.62 CA12 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL12341038 0.62 NPC1 (0.42) CA12CA1CA2CA9LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114059090-B Preparation method of benzo [ e ] [1,4,3] oxathiazine-1, 1-dioxide derivative 福州大学 2023-11-21 CN claimed
CN-114059090-A Preparation method of benzo [ e ] [1,4,3] oxathiazine-1, 1-dioxide derivative 福州大学 2022-02-18 CN claimed
CN-114059090-B Preparation method of benzo [ e ] [1,4,3] oxathiazine-1, 1-dioxide derivative 福州大学 2023-11-21 CN disclosed
CN-114059090-B Preparation method of benzo [ e ] [1,4,3] oxathiazine-1, 1-dioxide derivative 福州大学 2023-11-21 CN disclosed
CN-114059090-B Preparation method of benzo [ e ] [1,4,3] oxathiazine-1, 1-dioxide derivative 福州大学 2023-11-21 CN disclosed
CN-114059090-A Preparation method of benzo [ e ] [1,4,3] oxathiazine-1, 1-dioxide derivative 福州大学 2022-02-18 CN disclosed
CN-114059090-A Preparation method of benzo [ e ] [1,4,3] oxathiazine-1, 1-dioxide derivative 福州大学 2022-02-18 CN disclosed
CN-114059090-A Preparation method of benzo [ e ] [1,4,3] oxathiazine-1, 1-dioxide derivative 福州大学 2022-02-18 CN disclosed